Data on electronic structures for the study of ligand effects on the zirconocene-mediated trimethylene carbonate polymerization

The data presented in this paper are related to the research article entitled “Effect of ligand structure in the trimethylene carbonate polymerization by cationic zirconocene catalysts: A “naked model” DFT study” (Jitonnom and Meelua, 2017) [1]. In this data article, we present 3D molecular informat...

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Bibliographic Details
Main Authors: Jitrayut Jitonnom, Wijitra Meelua
Format: Article
Language:English
Published: Elsevier 2018-10-01
Series:Data in Brief
Online Access:http://www.sciencedirect.com/science/article/pii/S235234091831120X